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With aggressive miniaturisation of electronic devices, modern technology is based on nanometer-sized devices and hence termed as "Nanotechnology". At this ultra-small scale, the primary focus is to harness the power of quantum nature of materials for the design and optimisation of next generation devices such as super-fast quantum computers, spin-based quantum sensors, high-efficiency photovoltaics, low energy loss photonic devices, sub-nanometer imaging of molecules/biomolecules and nano-particle drug delivery systems.

Our team studies quantum physics to enable innovative nanotechnologies through advanced simulations of functional nano-materials and nano-structures. We develop multi-scale theoretical methods based on tight-binding, DFT, and effective-mass approaches to enable quantitative understanding of new and emergent materials in close collaboration with experimentalists, leading to the engineering of nano-scale devices operating in quantum mechanical regime. Based on our state-of-the-art simulation framework, we also predict not-yet-fabricated devices with optimised functionalities providing guidance for new measurements.

Above all, working and understanding physical phenomena at nanometer scale is absolutely fascinating in itself, as it unravels the complexity of nature underpinning everything around us!

Simulations with realistic dimensions of devices ranging from 10-100 nm include several hundred thousands to a few million atoms in the simulation domain and therefore require high-performance super-computing machines. Our work is supported by computational resources provided by the following super-computers:

Magnus @ Pawsey Supercomputing Centre through NCMAS Allocation

Raijin @ National Computing Infrastructure through NCMAS Allocation

Spartan @ the University of Melbourne

RCAC @ Purdue University through NCN/Nanohub

(1) Are you an experimentalist and interested in our theory? Please feel free to send an email.